Fragrance Demo Formulas |
(Z)-3,4,5,6,6-pentamethylhept-3-en-2-one (Click)
IUPAC Name: (Z)-3,4,5,6,6-pentamethylhept-3-en-2-one
Std.InChI: InChI=1S/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8-
InChI: InChI=1/C12H22O/c1-8(9(2)11(4)13)10(3)12(5,6)7/h10H,1-7H3/b9-8-
Std.InChIKey: IXIYWQIFBRZMNR-HJWRWDBZSA-N
InChIKey: IXIYWQIFBRZMNR-HJWRWDBZBJ
SMILES: CC(/C(=C(/C)\C(=O)C)/C)C(C)(C)C
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CAS Number: | 81786-73-4 |
ECHA EC Number: | 279-822-9 |
FDA UNII: | 18682V2R6J |
XlogP3-AA: | 3.70 (est) |
Molecular Weight: | 182.30654000 |
Formula: | C12 H22 O |
NMR Predictor: | Predict |
Also(can) Contains: | (E)-woody amylene |
| 3,5,6,6-woody amylene |
| woody amylene |
Category: | fragrance agents |
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US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: |
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Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 85.00 to 100.00 % sum of isomers
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 0.86100 to 0.87000 @ 25.00 °C.
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Pounds per Gallon - (est).: | 7.164 to 7.239
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Specific Gravity: | 0.86200 to 0.87100 @ 20.00 °C.
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Pounds per Gallon - est.: | 7.181 to 7.256
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Refractive Index: | 1.45300 to 1.46100 @ 20.00 °C.
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Boiling Point: | 246.20 °C. @ 760.00 mm Hg (est)
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Vapor Pressure: | 0.028000 mm/Hg @ 25.00 °C. (est) |
Flash Point: | 186.00 °F. TCC ( 85.56 °C. )
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logP (o/w): | 3.774 (est) |
Organoleptic Properties:
Odor Type: | woody |
Odor Strength: | medium |
Odor Description: at 100.00 %. | woody floral pine balsam violet methyl ionone Luebke, William tgsc, (1988) |
Odor sample from: | International Flavors & Fragrances Inc. |
Substantivity: | 12 hour(s) at 100.00 % |
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Cosmetic Information:
Suppliers:
A.C.S. International |
Pentaflorone
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Azelis |
KOAVONE
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CG Herbals |
Koavone
Odor: Woody, floral complex with amber and violet nuances Use: A highly diffusive product used to enhance amber notes. |
Creatingperfume.com |
KOAVONE® (IFF)
Odor: Diffusive, woody, floral complex with amber and violet nuances |
Ernesto Ventós |
KOAVONE IFF
Odor: WOODY, BALSAMIC, PINE, FLORAL |
IFF |
KOAVONE®
Odor: Woody, floral complex with amber and violet nuances. A highly diffusive product that can be used to enhance amber notes. At high levels an aldehydic, pine needle oil effect is realised |
Indukern F&F |
KOAVONE
Odor: WOODY, VIOLET, PINE, BALSAMIC |
Kun Shan P&A |
Koavone
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Lluch Essence |
PRATONE
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Moellhausen |
KOAVONE
Nature-identical |
PCW France |
Astrone
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Penta International |
ACETYL DIISOAMYLENE
| PerfumersWorld |
Koavone
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Phoenix Aromas & Essential Oils |
Acetyl Diisoamylene
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Taytonn |
Koavone®
Odor: Amber/ Ambery, Balsamic, Floral, Pine, Woody |
The John D. Walsh Company |
Koavone
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The Perfumers Apprentice |
Koavone (I)**
Odor: Woody, floral complex with amber and violet nuances. very diffusive, enhances amber notes Use: high levels gives an aldehydic, pine needle oil effect. |
Safety Information:
European information : |
Most important hazard(s): | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: | |
Not determined
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Dermal Toxicity: | |
Not determined
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Inhalation Toxicity: | |
Not determined
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Safety in Use Information:
Category: | fragrance agents |
Recommendation for (Z)-woody amylene usage levels up to: | | 30.0000 % in the fragrance concentrate.
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Recommendation for (Z)-woody amylene flavor usage levels up to: | | not for flavor use.
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Safety References:
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Natural Occurrence in: note
Synonyms:
| acetyl diisoamylene | 3- | hepten-2-one, 3,4,5,6,6-pentamethyl-, (Z)- | | koavone | | pentaflorone | (Z)-3- | pentamethyl hepten-2-one | cis-3- | pentamethyl hepten-2-one | (Z)-3,4,5,6,6- | pentamethylhept-3-en-2-one | (Z)- | woody amylene |
Articles:
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click on the picture(s) below to interact with the 3D model |
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Soluble in: |
| alcohol | | water, 14.27 mg/L @ 25 °C (est) |
Insoluble in: |
| water |
Stability: |
| alcoholic lotion | | antiperspirant | | deo stick | | fabric softener | | shampoo | | soap |
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